4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid

C8H14FNO2 — CID 83816581

IUPAC4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(CF)(C(=O)O)CC1
InChIInChI=1S/C8H14FNO2/c1-10-4-2-8(6-9,3-5-10)7(11)12/h2-6H2,1H3,(H,11,12)
InChIKeyRGMCTBGZCZEUBX-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.75
Rot. Bonds2

About 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid

4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid (PubChem CID 83816581) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
PubChem CID83816581
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(CF)(C(=O)O)CC1
InChIInChI=1S/C8H14FNO2/c1-10-4-2-8(6-9,3-5-10)7(11)12/h2-6H2,1H3,(H,11,12)
InChIKeyRGMCTBGZCZEUBX-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid
CID 115030206
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-methyl-4-(2-oxopropyl)azepane-4-carboxylic acid
CID 115028358
4-(fluoromethyl)oxane-4-carboxylic acid
CID 83815747
4-(fluoromethyl)-1-(2-hydroxyphenyl)piperidine-4-carboxylic acid
CID 115055612
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 10037618
ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
CID 166471402
1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928821
1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone
CID 178047336
1-methyl-4-[2-oxo-2-(N-phenylanilino)ethyl]piperidine-4-carboxylic acid
CID 170414123
3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid
CID 118062622
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid (CID 83816581) is 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid is CN1CCC(CF)(C(=O)O)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid?
The InChIKey is RGMCTBGZCZEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-10-4-2-8(6-9,3-5-10)7(11)12/h2-6H2,1H3,(H,11,12).
What are the key properties of 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid?
4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid has a molecular weight of 175.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 83816581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).